(7,7-Azo-3,12-Dihydroxy-5-Cholan-24-Oyl)-2-Aminoethanesulfonic Acid
[CAS# 72741-86-7]

Identification

• Name: (7,7-Azo-3,12-Dihydroxy-5-Cholan-24-Oyl)-2-Aminoethanesulfonic Acid
• Synonyms: Sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-Spiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-7,3'-Diazirine]-17-Yl]Pentanoyl]Amino]Ethanesulfonate; Sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-17-Spiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-7,3'-Diazirine]Yl]-1-Oxopentyl]Amino]Ethanesulfonate; Sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-Spiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthrene-7,3'-1,2-Diazirine]-17-Yl]Pentanoyl]Amino]Ethanesulfonate
• Molecular Formula: C₂₆H₄₂N₃NaO₆S
• Molecular Weight: 547.68
• CAS Registry Number: 72741-86-7
• SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)[C@@H](CCC(=O)NCC[S]([O-])(=O)=O)C)([C@@H](O)C[C@@H]2[C@@]5([C@H](CC34N=N4)C[C@H](O)CC5)C)C.[Na+]
• InChI: 1S/C26H43N3O6S.Na/c1-15(4-7-22(32)27-10-11-36(33,34)35)18-5-6-19-23-20(13-21(31)25(18,19)3)24(2)9-8-17(30)12-16(24)14-26(23)28-29-26;/h15-21,23,30-31H,4-14H2,1-3H3,(H,27,32)(H,33,34,35);/q;+1/p-1/t15-,16+,17-,18-,19+,20+,21+,23+,24+,25-;/m1./s1
• InChIKey: SBGNLQGGOAWPRY-ITLHHNROSA-M